acetylene;5-bromo-3-methylpyridin-2-amine

C8H9BrN2 — CID 143713181

IUPACacetylene;5-bromo-3-methylpyridin-2-amine
SMILESC#C.Cc1cc(Br)cnc1N
InChIInChI=1S/C6H7BrN2.C2H2/c1-4-2-5(7)3-9-6(4)8;1-2/h2-3H,1H3,(H2,8,9);1-2H
InChIKeyCAEJIHNCHBVPEC-UHFFFAOYSA-N
MW213.08 g/mol
LogP1.98
Rot. Bonds

About acetylene;5-bromo-3-methylpyridin-2-amine

acetylene;5-bromo-3-methylpyridin-2-amine (PubChem CID 143713181) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is acetylene;5-bromo-3-methylpyridin-2-amine.

Molecular Properties

Compound Nameacetylene;5-bromo-3-methylpyridin-2-amine
PubChem CID143713181
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Nameacetylene;5-bromo-3-methylpyridin-2-amine
SMILESC#C.Cc1cc(Br)cnc1N
InChIInChI=1S/C6H7BrN2.C2H2/c1-4-2-5(7)3-9-6(4)8;1-2/h2-3H,1H3,(H2,8,9);1-2H
InChIKeyCAEJIHNCHBVPEC-UHFFFAOYSA-N
XLogP1.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromopyridine-2,3-diamine;ethane
CID 90880932
6-amino-5-methylpyridine-3-thiol
CID 90292005
CID 89204152
CID 89204152
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
(2-amino-5-bromo-3-pyridinyl)methanol
CID 10891366
5-bromo-3-(methoxymethyl)pyridin-2-amine
CID 84682381
3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine
CID 79718137
5-bromo-2-(difluoromethyl)-3-methylpyridine
CID 130095050
5-bromo-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 67057573
5-bromo-3-(2-methyl-4-pyridinyl)pyridin-2-amine
CID 118470305
(2-amino-5-methyl-3-pyridinyl)-(4-bromo-2-methylphenyl)methanone
CID 103083607
5-bromo-2-(4-bromophenoxy)-3-methylpyridine
CID 79713445

Frequently Asked Questions

What is the IUPAC name of acetylene;5-bromo-3-methylpyridin-2-amine?
The IUPAC name of acetylene;5-bromo-3-methylpyridin-2-amine (CID 143713181) is acetylene;5-bromo-3-methylpyridin-2-amine.
What is the SMILES notation for acetylene;5-bromo-3-methylpyridin-2-amine?
The canonical SMILES for acetylene;5-bromo-3-methylpyridin-2-amine is C#C.Cc1cc(Br)cnc1N.
What is the InChIKey of acetylene;5-bromo-3-methylpyridin-2-amine?
The InChIKey is CAEJIHNCHBVPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2.C2H2/c1-4-2-5(7)3-9-6(4)8;1-2/h2-3H,1H3,(H2,8,9);1-2H.
What are the key properties of acetylene;5-bromo-3-methylpyridin-2-amine?
acetylene;5-bromo-3-methylpyridin-2-amine has a molecular weight of 213.08 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;5-bromo-3-methylpyridin-2-amine is sourced from PubChem (CID 143713181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).